FYSS5540 Tiheysfunktionaaliteoria (8 op)
Kuvaus
Hohenberg-Kohn theorem
Kohn-Sham equations
Exchange-correlation functionals
Correlation functions
Local density approximation
Gradient expansion and orbital functionals
Time-dependent density functional theory
Linear response theory
Calculation of excitation energies
Extensions of density functional theory
Osaamistavoitteet
At the end of this course, students will be able to
Prove the Hohenberg-Kohn theorem
Describe the basic ideas behind the Kohn-Sham equations
Present the basic idea underlying the local density approximation
Describe the physical ideas behind the density gradient expansion
Explain electron correlation in terms of pair-correlation functions
Derive the adiabatic connection formula
Derive the density-potential mapping in the time-dependent case
Explain linear response density functional theory
Explain how excitations energies are calculated
Write a report on a topic related to density functional theory
Esitietojen kuvaus
Good knowledge of quantum mechanics
Oppimateriaalit
Lecture notes and background articles